A Bis-calix[4]pyrrole Enzyme Mimic That Constrains Two Oxoanions in Close Proximity

• DOI: 10.1021/jacs.7b02329
• Publication Date: 2017-05-11T19:12:44Z
• Authors: Qing He; Michael Kelliher; Steffen Bähring; Vincent M. Lynch; Jonathan L. Sessler
• Keywords: Pyrrole

Herein we describe a large capsule-like bis-calix[4]pyrrole 1, which is able to host concurrently two dihydrogen phosphate anions within relatively internal cavity. Evidence for the concurrent, dual recognition of encapsulated came from 1H NMR and UV–vis spectroscopies ITC titrations carried out in CD2Cl2/CD3OD (9/1, v/v) or dichloroethane (DCE), as well single crystal X-ray diffraction analyses. Receptor 1 was also found bind dianionic sulfate bridged by water molecules solid state. The resulting dimer retained DCE solution, evidenced spectroscopic Finally, receptor capable accommodating trianionic pyrophosphate present experimental findings are supported DFT calculations along with spectroscopies, studies,